4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide
TL;DR: 4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide (CAS 478046-41-2) is a chemical compound with molecular formula C17H14ClNO2 and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-phenylmethoxy-N-prop-2-ynylbenzamide
Also Known As: 2-chloro-4-phenylmethoxy-N-prop-2-ynylbenzamide, 4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide, 4-(benzyloxy)-2-chloro-N-(prop-2-yn-1-yl)benzamide, 2-chloro-4-phenylmethoxy-N-prop-2-ynyl-benzamide
| Molecular Formula | C17H14ClNO2 |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 3.282 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.07132 |
| Heavy Atoms | 21 |
| Complexity | 662.2355 |
Chemical Identifiers
| CAS Number | 478046-41-2 |
|---|---|
| SMILES | C#CCNC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)Cl |
Product Overview
4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide (CAS 478046-41-2), with molecular formula C17H14ClNO2 and molecular weight 299.07 g/mol. IUPAC: 2-chloro-4-phenylmethoxy-N-prop-2-ynylbenzamide.
Chemical Property Profile of 4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide
Property Insights of 4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide
The XLogP value of 3.282 indicates that 4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide?
The CAS number of 4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide is 478046-41-2.
What is the molecular formula of 4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide?
The molecular formula of 4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide is C17H14ClNO2.
What is the molecular weight of 4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide?
The molecular weight of 4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide is 299.07 g/mol.
Where can I buy 4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide?
You can request a quote for 4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(benzyloxy)-2-chloro-N-(2-propynyl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.